1032131

Source:http://linkedlifedata.com/resource/chembl/compound/1032131

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H17N3O3/c1-21-18(23)13-8-4-3-7-12(13)15(20-21)11-17(22)19-14-9-5-6-10-16(14)24-2/h3-10H,11H2,1-2H3,(H,19,22)
chemicalCompound:standardIn...	GOGZEKGEJOCXIK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1NC(=O)CC2=NN(C)C(=O)c3ccccc23
chemicalCompound:molecularF...	C18H17N3O3
chemicalCompound:moleculeId	1032131
chemicalCompound:mwFreebase	323.346
chemicalCompound:alogp	1.988
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	71
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.674
chemicalCompound:acdLogP	3.486
chemicalCompound:acdLogD	3.486
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	323.346
chemicalCompound:acdMostBpk...	1.443
chemicalCompound:chemblId	CHEMBL1608247
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1132131
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3650365, activity:3756805, activity:3865968, activity:4436006, activity:4542583, activity:4997124, activity:5045855, activity:5434141, activity:5584973, activity:5881695, activity:5983841, activity:6957954, activity:7110828, activity:7476233, activity:8287501, activity:10306673, activity:10608145